Refinement on F2 | H atoms treated by a mixture of independent and constrained refinement |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0307P)2 + 0.3106P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.059 | (Δ/σ)max < 0.001 |
wR(F2) = 0.109 | Δρmax = 0.20 e Å−3 |
S = 1.15 | Δρmin = −0.21 e Å−3 |
2181 reflections | Absolute structure: Flack (1983), 976 Friedel pairs |
109 parameters | Flack parameter: 0.01 (11) |
1 restraint |